7-[2-(3-cyanophenyl)-3-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile

C38H20N2O2 — CID 146353959

IUPAC7-[2-(3-cyanophenyl)-3-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
SMILESN#Cc1cccc(-c2c(-c3ccc4c(c3)oc3ccccc34)cccc2-c2ccc3c(c2)oc2ccc(C#N)cc23)c1
InChIInChI=1S/C38H20N2O2/c39-21-23-5-3-6-27(17-23)38-28(25-12-14-31-30-7-1-2-10-34(30)41-36(31)19-25)8-4-9-29(38)26-13-15-32-33-18-24(22-40)11-16-35(33)42-37(32)20-26/h1-20H
InChIKeyJAYKXDNOYMONPX-UHFFFAOYSA-N
MW536.59 g/mol
LogP10.23
Rot. Bonds3

About 7-[2-(3-cyanophenyl)-3-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile

7-[2-(3-cyanophenyl)-3-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile (PubChem CID 146353959) has the molecular formula C38H20N2O2 and a molecular weight of 536.59 g/mol. Its IUPAC name is 7-[2-(3-cyanophenyl)-3-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile.

Molecular Properties

Compound Name7-[2-(3-cyanophenyl)-3-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
PubChem CID146353959
Molecular FormulaC38H20N2O2
Molecular Weight536.59 g/mol
Exact Mass536.15
IUPAC Name7-[2-(3-cyanophenyl)-3-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
SMILESN#Cc1cccc(-c2c(-c3ccc4c(c3)oc3ccccc34)cccc2-c2ccc3c(c2)oc2ccc(C#N)cc23)c1
InChIInChI=1S/C38H20N2O2/c39-21-23-5-3-6-27(17-23)38-28(25-12-14-31-30-7-1-2-10-34(30)41-36(31)19-25)8-4-9-29(38)26-13-15-32-33-18-24(22-40)11-16-35(33)42-37(32)20-26/h1-20H
InChIKeyJAYKXDNOYMONPX-UHFFFAOYSA-N
XLogP10.23
TPSA73.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.59
LogP ≤ 510.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-dibenzofuran-1-yl-6-dibenzofuran-2-ylphenyl)benzonitrile
CID 146355352
6-[3-(3-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146355274
3-[3,5-di(dibenzofuran-2-yl)-2,6-dimethylphenyl]benzonitrile
CID 146354557
6-(3-dibenzofuran-4-ylphenyl)dibenzofuran-2-carbonitrile
CID 121298243
3-(3-dibenzofuran-3-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
CID 146354479
8-[3-(2-cyano-6-phenylphenyl)-5-dibenzofuran-2-ylphenyl]dibenzofuran-2-carbonitrile
CID 146354419
2-(3-cyanophenyl)-4-dibenzofuran-2-yl-6-dibenzofuran-4-ylbenzene-1,3-dicarbonitrile
CID 146355240
8-[3-(2-cyanophenyl)-4-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile;2-(5-dibenzofuran-2-yl-2-dibenzofuran-3-ylphenyl)benzonitrile;3-(5-dibenzofuran-2-yl-2-dibenzofuran-3-ylphenyl)benzonitrile;2-[2-(5-dibenzofuran-2-yl-2-dibenzofuran-3-ylphenyl)phenyl]benzonitrile;3-(5-dibenzofuran-2-yl-2-dibenzofuran-3-ylphenyl)-5-phenylbenzonitrile
CID 157239816
8-[3-(2-cyanophenyl)-5-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile
CID 146353784
2-[2,3-di(dibenzofuran-2-yl)phenyl]benzonitrile;3-[2,3-di(dibenzofuran-2-yl)phenyl]benzonitrile;3-[2,6-di(dibenzofuran-1-yl)phenyl]benzonitrile;3-[2,6-di(dibenzofuran-1-yl)phenyl]-5-phenylbenzonitrile;2-[3-[2,6-di(dibenzofuran-1-yl)phenyl]-5-phenylphenyl]benzonitrile
CID 161466472
4-[3,5-di(dibenzofuran-2-yl)-4-phenylphenyl]benzonitrile
CID 146353688
2-[10-(2-dibenzofuran-3-yl-6-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 171447273

Frequently Asked Questions

What is the IUPAC name of 7-[2-(3-cyanophenyl)-3-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile?
The IUPAC name of 7-[2-(3-cyanophenyl)-3-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile (CID 146353959) is 7-[2-(3-cyanophenyl)-3-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile.
What is the SMILES notation for 7-[2-(3-cyanophenyl)-3-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile?
The canonical SMILES for 7-[2-(3-cyanophenyl)-3-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile is N#Cc1cccc(-c2c(-c3ccc4c(c3)oc3ccccc34)cccc2-c2ccc3c(c2)oc2ccc(C#N)cc23)c1.
What is the InChIKey of 7-[2-(3-cyanophenyl)-3-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile?
The InChIKey is JAYKXDNOYMONPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H20N2O2/c39-21-23-5-3-6-27(17-23)38-28(25-12-14-31-30-7-1-2-10-34(30)41-36(31)19-25)8-4-9-29(38)26-13-15-32-33-18-24(22-40)11-16-35(33)42-37(32)20-26/h1-20H.
What are the key properties of 7-[2-(3-cyanophenyl)-3-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile?
7-[2-(3-cyanophenyl)-3-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile has a molecular weight of 536.59 g/mol, XLogP of 10.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(3-cyanophenyl)-3-dibenzofuran-3-ylphenyl]dibenzofuran-2-carbonitrile is sourced from PubChem (CID 146353959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).